N-[2-(azetidin-3-ylidene)propyl]-N-methylpentan-3-amine

C12H24N2 — CID 116679435

IUPACN-[2-(azetidin-3-ylidene)propyl]-N-methylpentan-3-amine
SMILESCCC(CC)N(C)CC(C)=C1CNC1
InChIInChI=1S/C12H24N2/c1-5-12(6-2)14(4)9-10(3)11-7-13-8-11/h12-13H,5-9H2,1-4H3
InChIKeySRJSFGYRGSHXFG-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.03
Rot. Bonds5

About N-[2-(azetidin-3-ylidene)propyl]-N-methylpentan-3-amine

N-[2-(azetidin-3-ylidene)propyl]-N-methylpentan-3-amine (PubChem CID 116679435) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylidene)propyl]-N-methylpentan-3-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]-N-methylpentan-3-amine
PubChem CID116679435
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]-N-methylpentan-3-amine
SMILESCCC(CC)N(C)CC(C)=C1CNC1
InChIInChI=1S/C12H24N2/c1-5-12(6-2)14(4)9-10(3)11-7-13-8-11/h12-13H,5-9H2,1-4H3
InChIKeySRJSFGYRGSHXFG-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 116679796
Methanamine;1-propan-2-yl-3-propan-2-ylideneazetidine
CID 90888145
N'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994260
N'-[2-(azetidin-3-ylidene)propyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994429
2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189497
1-[2-(Azetidin-3-ylidene)propyl]-2,4-dimethylpiperazine
CID 105590998
N-[2-(azetidin-3-ylidene)propyl]-N-(2-methylpropyl)cyclopentanamine
CID 113551415
4-[2-(Azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine
CID 114547049
2-(azetidin-3-ylidene)-N,N-diethylpropan-1-amine
CID 116679178
1-[2-(Azetidin-3-ylidene)propyl]-2-methylpiperidine
CID 116679181
2-(azetidin-3-ylidene)-N,N-dipropylpropan-1-amine
CID 116679202
N-[2-(azetidin-3-ylidene)propyl]-N-methylbutan-1-amine
CID 116679230

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-N-methylpentan-3-amine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-N-methylpentan-3-amine (CID 116679435) is N-[2-(azetidin-3-ylidene)propyl]-N-methylpentan-3-amine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]-N-methylpentan-3-amine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]-N-methylpentan-3-amine is CCC(CC)N(C)CC(C)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]-N-methylpentan-3-amine?
The InChIKey is SRJSFGYRGSHXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-12(6-2)14(4)9-10(3)11-7-13-8-11/h12-13H,5-9H2,1-4H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]-N-methylpentan-3-amine?
N-[2-(azetidin-3-ylidene)propyl]-N-methylpentan-3-amine has a molecular weight of 196.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-ylidene)propyl]-N-methylpentan-3-amine is sourced from PubChem (CID 116679435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).